4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine

C11H10BrFN4 — CID 107638778

IUPAC4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCc1c(Br)cccc1Nc1nc(N)ncc1F
InChIInChI=1S/C11H10BrFN4/c1-6-7(12)3-2-4-9(6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyHQQCXWVZHXNZAW-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.01
Rot. Bonds2

About 4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine

4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 107638778) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is 4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID107638778
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCc1c(Br)cccc1Nc1nc(N)ncc1F
InChIInChI=1S/C11H10BrFN4/c1-6-7(12)3-2-4-9(6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyHQQCXWVZHXNZAW-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107636939
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80755046
3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
CID 107638555
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762276
5-fluoro-4-N-isoquinolin-5-ylpyrimidine-2,4-diamine
CID 80789073
5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80801553
4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80847198
4-N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107580700
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
5-bromo-4-N-(2-fluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755125

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine (CID 107638778) is 4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine is Cc1c(Br)cccc1Nc1nc(N)ncc1F.
What is the InChIKey of 4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is HQQCXWVZHXNZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c1-6-7(12)3-2-4-9(6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 297.13 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 107638778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).